1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene

C15H13F3OS — CID 102320768

IUPAC1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene
SMILESC[C@H](c1ccc(C(F)(F)F)cc1)S(=O)c1ccccc1
InChIInChI=1S/C15H13F3OS/c1-11(20(19)14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-11H,1H3/t11-,20?/m1/s1
InChIKeyCPZTVQJDNUJOMW-UAPALYRASA-N
MW298.33 g/mol
LogP4.57
Rot. Bonds3

About 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene

1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene (PubChem CID 102320768) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene
PubChem CID102320768
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene
SMILESC[C@H](c1ccc(C(F)(F)F)cc1)S(=O)c1ccccc1
InChIInChI=1S/C15H13F3OS/c1-11(20(19)14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-11H,1H3/t11-,20?/m1/s1
InChIKeyCPZTVQJDNUJOMW-UAPALYRASA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607
ethane;bis(trifluoromethylbenzene)
CID 142912000
[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene
CID 16720775
ethane;trifluoromethylsulfinylbenzene
CID 142140628
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
phenyl 2-[4-(trifluoromethyl)phenyl]propanoate
CID 174831640
1-[1-(benzenesulfinyl)ethenyl]-4-(trifluoromethyl)benzene
CID 138975188
1-iodo-4-propan-2-ylbenzene;trifluoromethylbenzene
CID 174465530
1-(1-benzylsulfonylpropan-2-yl)-4-(trifluoromethyl)benzene
CID 135065934
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
(2R)-2-(benzenesulfinyl)propanoic acid
CID 100915860

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene (CID 102320768) is 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene is C[C@H](c1ccc(C(F)(F)F)cc1)S(=O)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is CPZTVQJDNUJOMW-UAPALYRASA-N. The full InChI is InChI=1S/C15H13F3OS/c1-11(20(19)14-5-3-2-4-6-14)12-7-9-13(10-8-12)15(16,17)18/h2-11H,1H3/t11-,20?/m1/s1.
What are the key properties of 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene?
1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 298.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 102320768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).